2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one

C25H27N7O2 — CID 177346822

IUPAC2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one
SMILESCNc1cc(Nc2cccc3c2N(C)Cc2c-3cnn2C2CCOCC2)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C25H27N7O2/c1-26-22-12-20(23-18(30-22)6-9-27-25(23)33)29-19-5-3-4-16-17-13-28-32(15-7-10-34-11-8-15)21(17)14-31(2)24(16)19/h3-6,9,12-13,15H,7-8,10-11,14H2,1-2H3,(H,27,33)(H2,26,29,30)
InChIKeyLKUKOAZKFMCZQJ-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.87
Rot. Bonds4

About 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one

2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one (PubChem CID 177346822) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one
PubChem CID177346822
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one
SMILESCNc1cc(Nc2cccc3c2N(C)Cc2c-3cnn2C2CCOCC2)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C25H27N7O2/c1-26-22-12-20(23-18(30-22)6-9-27-25(23)33)29-19-5-3-4-16-17-13-28-32(15-7-10-34-11-8-15)21(17)14-31(2)24(16)19/h3-6,9,12-13,15H,7-8,10-11,14H2,1-2H3,(H,27,33)(H2,26,29,30)
InChIKeyLKUKOAZKFMCZQJ-UHFFFAOYSA-N
XLogP3.87
TPSA100.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide
CID 177348288
N-[4-[[8-fluoro-5-methyl-3-(oxolan-3-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
CID 177348308
N-[4-[(5-methyl-3-propan-2-yl-4H-pyrazolo[5,4-c]quinolin-6-yl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
CID 177347622
tert-butyl 4-[6-[(2-chloro-5-oxo-6H-1,6-naphthyridin-4-yl)amino]-5-methyl-4H-pyrazolo[5,4-c]quinolin-3-yl]piperidine-1-carboxylate
CID 177347908
6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177347980
5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 177346911
N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
CID 162505016
N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 177347498
6-[[3-[6-[[2-(cyclopropanecarbonylamino)-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-N-ethylpyridine-2-carboxamide
CID 177347198
2-chloro-4-[2-methoxy-3-[2-(oxan-4-yl)-1,3-thiazol-5-yl]anilino]-6H-1,6-naphthyridin-5-one
CID 162505032
6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[6-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177347854
6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
CID 177348655

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one (CID 177346822) is 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one is CNc1cc(Nc2cccc3c2N(C)Cc2c-3cnn2C2CCOCC2)c2c(=O)[nH]ccc2n1.
What is the InChIKey of 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one?
The InChIKey is LKUKOAZKFMCZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-26-22-12-20(23-18(30-22)6-9-27-25(23)33)29-19-5-3-4-16-17-13-28-32(15-7-10-34-11-8-15)21(17)14-31(2)24(16)19/h3-6,9,12-13,15H,7-8,10-11,14H2,1-2H3,(H,27,33)(H2,26,29,30).
What are the key properties of 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one?
2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one has a molecular weight of 457.54 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 177346822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).